10th Anniversary of Processes: Feature Papers in Chemical Processes and Systems

A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Chemical Processes and Systems".

Deadline for manuscript submissions: closed (28 February 2024) | Viewed by 8017

Special Issue Editor


E-Mail Website
Guest Editor
Department of Catalysis and Chemical Reaction Engineering, National Institute of Chemistry, 1000 Ljubljana, Slovenia
Interests: multiscale modeling; density functional theory; kinetic Monte Carlo; computational fluid dynamics; thermodynamics; reaction kinetics; microkinetics; transport phenomena; heat transfer; mass transfer; fluid mechanics; unit operations; separations
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues, 

The existing chemical industry is facing a fast disruptive transformation. Feedstock that is well-known, steady, and defined (oil, natural gas resources, etc.) is being complemented by unconventional types, such as biomass, CO2, and hydrogen, which also call for the transformation of operation (size, dynamics, etc.). Complex chemical systems are increasingly integrating multiscaled digital twins, spanning from atoms to plants, which also represent a game-changer for, e.g., catalyst material discovery, real time optimization, etc. A critical timely understanding of these interlinked phenomena is thus direly needed, especially from experts, spanning across traditional recognized disciplines, changing the paradigms in engineering. 

This Special Issue on “10th Anniversary of Processes: Feature Review Papers in the Chemical Systems Section” aims to collect all the review articles on chemical systems. 

Prof. Dr. Blaž Likozar
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Processes is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • chemical systems
  • chemical industry
  • oil
  • natural gas resources
  • biomass, CO2 and hydrogen
  • complex chemical systems
  • multiscaled digital twins
  • catalyst material discovery
  • real-time optimization

Published Papers (10 papers)

Order results
Result details
Select all
Export citation of selected articles as:

Research

20 pages, 5384 KiB  
Article
Evaluation of the Bioenergy Potential of Blends (Green Coconut Shells and Fish Scales) as a Feedstock in Thermochemical Processes for Clean Energy Production
by Ayrton Pablo Raiol Monroe, Arthur Vinicius Sousa Silva, Mariana Silva Melo, Julie Brenda Santos da Silva, Ramón Raudel Peña Garcia, Maria Alexsandra de Sousa Rios, Waldir Antônio Bizzo and Glauber Cruz
Processes 2024, 12(4), 710; https://doi.org/10.3390/pr12040710 - 30 Mar 2024
Viewed by 505
Abstract
Brazil is among the world’s largest producers of green coconut, which contributes to inappropriate disposal and socioenvironmental impacts. Concomitantly, some of its coastal cities produce a great diversity of fish and large amounts of solid waste. This paper reports on the use of [...] Read more.
Brazil is among the world’s largest producers of green coconut, which contributes to inappropriate disposal and socioenvironmental impacts. Concomitantly, some of its coastal cities produce a great diversity of fish and large amounts of solid waste. This paper reports on the use of samples of fish scales (100FS) and green coconut shells (100GCS) and their mixtures in 75%FS:25%GCS (B25), 50%FS:50%GCS (B50), and 25%FS:75%GCS (B75) proportions and quantification of their Higher Heating Values (HHV) and Lower Heating Values (LHV), and Ultimate (UA) and Proximate Analyses (PA). Their thermal behavior was investigated by thermogravimetry (TG/DTG) and differential scanning calorimetry (DSC), whereas scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), and Fourier transformed infrared (FTIR) were employed for analyses of their physicochemical and morphostructural properties. When compared to in natura samples, SEM images of the blends detected a structural disorder and a highly fibrous structure with an elongated chain and surface roughness. HHV were superior in samples with 100GCS (16.64 MJ kg−1), B75 (15.80 MJ kg−1), and B50 (14.98 MJ kg−1), and lower in B25 (14.16 MJ kg−1) and 100FS (13.03 MJ kg−1), with acceptable values for different biomasses. TG/DTG and DSC curves showed similarities among the samples, with the detection of their main thermoconversion stages. According to the data, the samples can be applied as renewable energy sources to mitigate socioecological illnesses and social vulnerabilities resulting from the archaic and inadequate management of solid waste. Full article
Show Figures

Figure 1

15 pages, 3716 KiB  
Article
Study of Mid-Pressure Ar Radiofrequency Plasma Used in Plasma-Enhanced Atomic Layer Deposition of α-Al2O3
by Carl-Thomas Piller, Jüri Raud, Lauri Aarik, Indrek Jõgi, Rasmus Talviste and Jaan Aarik
Processes 2024, 12(3), 612; https://doi.org/10.3390/pr12030612 - 20 Mar 2024
Viewed by 495
Abstract
This study investigated the characteristics of radiofrequency, middle-pressure argon plasma used in the atomic layer deposition (ALD) of Al2O3 films. Based on the electrical characteristics—the current, voltage, and phase shift between them—and the stability of the plasma plume, the optimum [...] Read more.
This study investigated the characteristics of radiofrequency, middle-pressure argon plasma used in the atomic layer deposition (ALD) of Al2O3 films. Based on the electrical characteristics—the current, voltage, and phase shift between them—and the stability of the plasma plume, the optimum plasma power, allowing reliable switching on of the plasma for any step of an ALD cycle, was determined. Spectral measurements were performed to determine the gas temperature and reactive species that could be important in the ALD process. The density of metastable argon atoms was estimated using tunable laser absorption spectroscopy. It was concluded that plasma heating of substrates did not affect film growth. The crystallization-enhancing effect of plasma observed in these experiments was due to the action of OH radicals produced in the plasma. Full article
Show Figures

Figure 1

18 pages, 3035 KiB  
Article
Data-Based Modeling, Multi-Objective Optimization and Multi-Criteria Decision Making of a Catalytic Ozonation Process for Degradation of a Colored Effluent
by Seyed Reza Nabavi, Saheleh Ghahri and Gade Pandu Rangaiah
Processes 2024, 12(3), 515; https://doi.org/10.3390/pr12030515 - 03 Mar 2024
Viewed by 565
Abstract
In the catalytic ozonation process (COP), the reactions are complex, and it is very difficult to determine the effect of different operating parameters on the degradation rate of pollutants. Data-based modeling tools, such as the multilayer perceptron (MLP) neural network, can be useful [...] Read more.
In the catalytic ozonation process (COP), the reactions are complex, and it is very difficult to determine the effect of different operating parameters on the degradation rate of pollutants. Data-based modeling tools, such as the multilayer perceptron (MLP) neural network, can be useful in establishing the complex relationship of degradation efficiency with the operating variables. In this work, the COP of acid red 88 (AR88) with Fe3O4 nano catalyst was investigated in a semi-batch reactor and a MLP model was developed to predict the degradation efficiency (%DE) of AR88 in the range of 25 to 96%. The MLP model was trained using 78 experimental data having five input variables, namely, AR88 initial concentration, catalyst concentration, pH, inlet air flow rate and batch time (in the ranges of 150–400 mg L−1, 0.04–0.4 g L−1, 4.5–8.5, 0.5–1.90 mg min−1 and 5–30 min, respectively). Its optimal topology was obtained by changing the number of neurons in the hidden layer, the momentum and the learning rates to 7, 0.075 and 0.025, respectively. A high correlation coefficient (R2 > 0.98) was found between the experimental and predicted values by the MLP model. Simultaneous maximization of %DE and minimization of Fe3O4 concentration was carried out by multi-objective particle swarm optimization (MOPSO) and the Pareto-optimal solutions were successfully obtained. The trade-off was analyzed through multi-criteria decision making, and one Pareto-optimal solution was selected. The developed model and optimal points are useful for treatment of AR88 wastewater. Full article
Show Figures

Figure 1

13 pages, 438 KiB  
Article
Coke Substitution with Anthracite in Sintering Production
by Pavlina Pustejovska, Michal Sikora, Simona Jursova, Kristyna Pustejovska and Edyta Kardas
Processes 2024, 12(3), 440; https://doi.org/10.3390/pr12030440 - 22 Feb 2024
Viewed by 765
Abstract
This article summarises the possibility of replacing the coke breeze sintering fuel with an economically and ecologically more suitable fuel, anthracite. The main focus is on the possibility of replacing coke breeze with anthracite, during which, the replacement process is accelerated and the [...] Read more.
This article summarises the possibility of replacing the coke breeze sintering fuel with an economically and ecologically more suitable fuel, anthracite. The main focus is on the possibility of replacing coke breeze with anthracite, during which, the replacement process is accelerated and the other properties are also affected. The analyses performed showed that the replacement of coke breeze with different amounts of anthracite does not have a negative effect if the initial permeability of the sintering bed is the same. Full article
Show Figures

Figure 1

15 pages, 1190 KiB  
Article
Mechanical Recycling of Post-Industrial PC/ABS Blends from the Automotive Sector by Mixture Design
by Silvia Zanatta, Carlo Boaretti, Eleonora Dal Lago, Luca Scopel, Diego Penzo and Michele Modesti
Processes 2024, 12(2), 349; https://doi.org/10.3390/pr12020349 - 07 Feb 2024
Viewed by 1065
Abstract
The widespread use of plastic materials poses significant environmental challenges, which have promoted a growing call for a circular approach to such materials, emphasizing waste reintegration into production. From this perspective, the present study focuses on analyzing a post-industrial recycled stream of chrome-plated [...] Read more.
The widespread use of plastic materials poses significant environmental challenges, which have promoted a growing call for a circular approach to such materials, emphasizing waste reintegration into production. From this perspective, the present study focuses on analyzing a post-industrial recycled stream of chrome-plated automotive scraps composed of acrylonitrile–butadiene–styrene (ABS), polycarbonate (PC), and a commercial PC/ABS blend. The batch-to-batch varying proportions of these constituents make control of the recycled materials’ quality challenging. To address this problem, we formulated an I-optimal mixture design model using the infrared absorbance ratio of selected peaks and Izod impact resistance results for injection-molded samples as inputs to determine the composition of each batch quickly. The two model equations (adjusted R2 > 0.97) obtained, based on cubic expression and regressed from data obtained from 27 mixtures with known compositions, were combined into a single system for the determination of unknown batch compositions. The validation test showed that the models can satisfactorily predict both the infrared and Izod results of blends with known compositions, but in the latter case, the results are less reliable, probably due to specific blend morphological interactions according to specific compositions. The results can improve mechanical recycling methodologies for reintroducing plastic wastes to the market. Full article
Show Figures

Figure 1

21 pages, 3891 KiB  
Article
Advancing Process Control in Fluidized Bed Biomass Gasification Using Model-Based Deep Reinforcement Learning
by Ibtihaj Khurram Faridi, Evangelos Tsotsas and Abdolreza Kharaghani
Processes 2024, 12(2), 254; https://doi.org/10.3390/pr12020254 - 24 Jan 2024
Viewed by 674
Abstract
This study presents a model-based deep reinforcement learning (MB-DRL) controller for the fluidized bed biomass gasification (FBG) process. The MB-DRL controller integrates a deep neural network (DNN) model and a reinforcement learning-based optimizer. The DNN model is trained with operational data from a [...] Read more.
This study presents a model-based deep reinforcement learning (MB-DRL) controller for the fluidized bed biomass gasification (FBG) process. The MB-DRL controller integrates a deep neural network (DNN) model and a reinforcement learning-based optimizer. The DNN model is trained with operational data from a pilot-scale FBG plant to approximate FBG process dynamics. The reinforcement learning-based optimizer employs a specially designed reward function, determining optimal control policies for FBG. Moreover, the controller includes an online learning component, ensuring periodic updates to the DNN model training. The performance of the controller is evaluated by testing its control accuracy for regulating synthetic gas composition, flow rate, and CO concentration in the FBG. The evaluation also includes a comparison with a model predictive controller. The results demonstrate the superior control performance of MB-DRL, surpassing MPC by over 15% in regulating synthetic gas composition and flow rate, with similar effectiveness observed in synthetic gas temperature control. Additionally, this study also includes systematic investigations into factors like DNN layer count and learning update intervals to provide insights for the practical implementation of the controller. The results, presenting a 50% reduction in control error with the addition of a single layer to the DNN model, highlight the significance of optimizing MB-DRL for effective implementation. Full article
Show Figures

Figure 1

12 pages, 5760 KiB  
Article
Preparation of High Specific Surface Area Activated Carbon from Petroleum Coke by KOH Activation in a Rotary Kiln
by Kechao Wang and Shaoping Xu
Processes 2024, 12(2), 241; https://doi.org/10.3390/pr12020241 - 23 Jan 2024
Viewed by 719
Abstract
In the preparation of high specific surface area activated carbon (AC) by KOH activation, the swelling of the reactant mixture and the particles’ agglomeration deteriorates the process and the property of product. In this study, a novel method using a rotary kiln loaded [...] Read more.
In the preparation of high specific surface area activated carbon (AC) by KOH activation, the swelling of the reactant mixture and the particles’ agglomeration deteriorates the process and the property of product. In this study, a novel method using a rotary kiln loaded with steel balls has been developed for the preparation of AC from petroleum coke (PC) by KOH activation. It has been found that the molten KOH caused the swelling of the reaction mixture at a lower activation temperature, while the molten K2O led to the particles’ agglomeration at a higher temperature. The steel balls could relieve the swelling and agglomeration and enhance the pore structure development of the AC by boosting the heat and mass transfer in the reactor. At an activation temperature of 800 °C and a KOH/PC mass ratio of 3:1, the specific surface area of the AC obtained without the addition of steel balls in the kiln is 1492 m2/g, while that with the steel balls is 1996 m2/g. The introduction of CO2 during the activation could further decrease the particles’ agglomeration by converting the K2O into thermoset K2CO3 and develop more mesopores of AC. Specifically, the average pore size of the AC increased from 2.20 to 2.72 nm. Full article
Show Figures

Figure 1

22 pages, 615 KiB  
Article
The Nutritional Value of Plant Drink against Bovine Milk—Analysis of the Total Concentrations and the Bio-Accessible Fraction of Elements in Cow Milk and Plant-Based Beverages
by Maja Welna, Anna Szymczycha-Madeja, Anna Lesniewicz and Pawel Pohl
Processes 2024, 12(1), 231; https://doi.org/10.3390/pr12010231 - 21 Jan 2024
Viewed by 799
Abstract
Four types of non-dairy (plant) drinks—almond, oat, rice, and soy—as well as cow milk with varying fat contents (1.5%, 2.0%, and 3.2%), were examined and compared in terms of the total concentrations of Al, As, B, Ba, Ca, Cd, Cr, Cu, Fe, K, [...] Read more.
Four types of non-dairy (plant) drinks—almond, oat, rice, and soy—as well as cow milk with varying fat contents (1.5%, 2.0%, and 3.2%), were examined and compared in terms of the total concentrations of Al, As, B, Ba, Ca, Cd, Cr, Cu, Fe, K, Mg, Na, Mn, Ni, P, Pb, Sb, Se, Sr, and Zn using inductively coupled optical emission spectrometry (ICP OES). Additionally, in vitro gastrointestinal digestion was used to determine the bio-accessible fraction of selected elements, evaluating the nutritional value and risk assessment involved with the consumption of these beverages. A significant difference in the mineral profile was observed depending on the type of plant drink, with the highest content of elements noted in the soy drink and the lowest in the rice drink. Except for Ca and P, the soy drink appears to be a much better source of essential nutrients, including Cu, Fe, and Mn, than cow’s milk. A similar Ca content in plant beverages can be obtained only by adding calcium salt at the stage of its production. Interestingly, by using the multivariate data analysis, the average content of the selected elements (Cu, K, Na, P, and Zn) can be used both to differentiate dairy and non-dairy milk samples according to their type and to distinguish plant drinks from milk of animal origin. The bio-accessibility of essential elements (Ca, Cu, Fe, Mg, Mn, P, Zn) in cow milk was within 8.37–98.2% and increased with an increase in its fat content. Accordingly, by drinking 1 L of this milk daily, it is possible to contribute to the recommended dietary intakes of Ca, P, Cu, Mg, and Zn between 5.6–68%. Although the bio-accessibility of elements in the rice drink was the highest (9.0–90.8%), the soy drink seems to be the best source of nutrients in bioavailable forms; its consumption (1 L/day) covers the requirements of Cu, Mn, Mg, Ca, P, and Zn in 7.0–67%. Unfortunately, both groups of beverages are not important sources of Fe (plant drink) and Mn or Fe (cow milk) in the human diet. On the other hand, potentially toxic elements (Al, B, Ba) were found in them in a relatively inert form. Full article
Show Figures

Graphical abstract

20 pages, 4080 KiB  
Article
Effects of Injection Parameters and EHN Mixing on the Combustion Characteristics of Fueling Pure Methanol in a Compression Ignition Engine
by Haifeng Liu, Mengjia Li, Hongyuan Wei, Can Wang, Tengda Song, Zhixiong Huang, Zhao Zhang, Yanqing Cui and Chao Jin
Processes 2024, 12(1), 48; https://doi.org/10.3390/pr12010048 - 24 Dec 2023
Cited by 1 | Viewed by 649
Abstract
As one of the most ideal alternative fuels for internal combustion engines, methanol can achieve near-zero carbon emissions. The main problem of methanol application in compression combustion engines is the phase lag caused by its poor combustion characteristics, but under low load conditions, [...] Read more.
As one of the most ideal alternative fuels for internal combustion engines, methanol can achieve near-zero carbon emissions. The main problem of methanol application in compression combustion engines is the phase lag caused by its poor combustion characteristics, but under low load conditions, the fuel activity can be improved by adding the cetane number improver EHN (Isooctyl nitrate), and the dependence on intake heating can be reduced to a certain extent. Based on a three-dimensional CFD simulation, the effects of methanol injection parameters and the addition of EHN on the combustion characteristics of a four-stroke exhaust turbocharged diesel engine were studied in this paper. With or without EHN, the increase in injection pressure and the advance in injection timing lead to an increase in the peak temperature, pressure, and heat release rate, as well as a shortening of the combustion duration. Adding EHN witnesses reduced requirements for methanol ignition, including a decreased peak temperature, pressure, and heat release rate, a significantly shortened ignition delay period, and an extended combustion duration, which thus results in a reduced indicated thermal efficiency. This study innovatively develops a 3D model of a compression combustion engine applicable to in-cylinder direct injection pure methanol fuel and EHN under small load conditions, which provides a reference for future research and development of small-load pure methanol compression combustion engines and has certain guiding significance. Full article
Show Figures

Figure 1

13 pages, 5912 KiB  
Article
An Effective Mercury Ion Adsorbent Based on a Mixed-Matrix Polyvinylidene Fluoride Membrane with Excellent Hydrophilicity and High Mechanical Strength
by Ling Cao, Xia Wu, Fajun He, Xianfeng Meng, Wei He, Jing Li, Guidan Zhu, Hehua Zeng and Chuanyi Wang
Processes 2024, 12(1), 30; https://doi.org/10.3390/pr12010030 - 22 Dec 2023
Viewed by 682
Abstract
Improving the hydrophilicity and mechanical strength of membranes in water treatment applications remains challenging. In this study, modified vermiculite (VT-M) and a hydrophilic polyvinylpyrrolidone (PVP) were introduced into a polyethyleneimine-functionalized polyvinylidene fluoride composite membrane (PVDF/PEI) to prepare a comprehensively modified mixed-matrix PVDF composite [...] Read more.
Improving the hydrophilicity and mechanical strength of membranes in water treatment applications remains challenging. In this study, modified vermiculite (VT-M) and a hydrophilic polyvinylpyrrolidone (PVP) were introduced into a polyethyleneimine-functionalized polyvinylidene fluoride composite membrane (PVDF/PEI) to prepare a comprehensively modified mixed-matrix PVDF composite membrane adsorbent that exhibited high mechanical strength and excellent hydrophilicity. The modified composite membrane featured good tensile properties, with a maximum tensile strength of 2.093 MPa, which was 2.5 times that of the PVDF/PEI membrane. After 7 s, the water contact angle of the composite membrane decreased to 0°, leading to significantly improved hydrophilicity. The modified composite membrane exhibited excellent adsorption selectivity for mercury ions, with a fitted maximum adsorption capacity of 807 mg/g. In a mixed-metal ion solution, the selectivity of the membrane for Hg(II) ions was 1.2 × 105 times that for Cd(II) ions. The adsorption mechanism of Hg(II) ions involved chelation, electrostatic attraction, and crystal growth processes. The present work suggests the great potential of mixed-matrix PVDF composite materials in the remediation of mercury-polluted water environments. Full article
Show Figures

Figure 1

Back to TopTop